| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 21 | Yes |
Popular Name: (8R,9S)-N9-cycloheptyl-N8,N9-dimethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9S)-N9-cycloheptyl-N8,N9-dim…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.06 | 7.35 | -112.71 | 3 | 4 | 2 | 40 | 298.471 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 4.68 | -2.12 | 1 | 4 | 0 | 34 | 296.455 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.46 | -34.83 | 2 | 4 | 1 | 38 | 297.463 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.49 | -32.74 | 2 | 4 | 1 | 35 | 297.463 | 3 | ↓ |
